2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine

C16H19FN4O2S — CID 5300805

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-12-11-13(2)19-16(18-12)20-7-9-21(10-8-20)24(22,23)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyORXVUZUDPSKDCW-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds3

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 5300805) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
PubChem CID5300805
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4O2S/c1-12-11-13(2)19-16(18-12)20-7-9-21(10-8-20)24(22,23)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyORXVUZUDPSKDCW-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine (CID 5300805) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is ORXVUZUDPSKDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-12-11-13(2)19-16(18-12)20-7-9-21(10-8-20)24(22,23)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 350.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 5300805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).